3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide

C14H14N6O3 — CID 71701404

IUPAC3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ncn[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C14H14N6O3/c1-22-11-4-3-8(5-12(11)23-2)9-6-10(19-18-9)13(21)17-14-15-7-16-20-14/h3-7H,1-2H3,(H,18,19)(H2,15,16,17,20,21)
InChIKeyYUVXPUUVPYPZRL-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.46
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide

3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71701404) has the molecular formula C14H14N6O3 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
PubChem CID71701404
Molecular FormulaC14H14N6O3
Molecular Weight314.31 g/mol
Exact Mass314.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ncn[nH]3)[nH]n2)cc1OC
InChIInChI=1S/C14H14N6O3/c1-22-11-4-3-8(5-12(11)23-2)9-6-10(19-18-9)13(21)17-14-15-7-16-20-14/h3-7H,1-2H3,(H,18,19)(H2,15,16,17,20,21)
InChIKeyYUVXPUUVPYPZRL-UHFFFAOYSA-N
XLogP1.46
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71706566
4-methoxy-3-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 49380377
4-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119352752
2,3-dimethoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 912373
(E)-3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 2329721
3-(3,4-dimethoxyphenyl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3413332
N-[(2,6-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4023855
(2R)-2-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119364011
3-(3,4-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124853927
3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 71704281
3-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19514461
N-[(2-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5161262

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide (CID 71701404) is 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ncn[nH]3)[nH]n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is YUVXPUUVPYPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3/c1-22-11-4-3-8(5-12(11)23-2)9-6-10(19-18-9)13(21)17-14-15-7-16-20-14/h3-7H,1-2H3,(H,18,19)(H2,15,16,17,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide?
3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71701404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).